341 citations · 428 across the 7 of their papers we have counts for
7 papers
Theoretical study on the electronic properties and multiorbital models of LaNiO thin films on SrLaAlO (001)
Guanlin Li, Cui-Qun Chen, Haoliang Shi +5
The realization of ambient-pressure superconductivity in LaNiO thin films raises a fundamental question: is the metallic ground state driven by lattice strain or interf…
First-principles study on the superconductivity of N-doped fcc-LuH3
Zihao Huo, Defang Duan, Tiancheng Ma +5
Recently, room-temperature superconductor has been claimed in a nitrogen-doped lutetium hydride at near-ambient pressure [Nature 615, 244 (2023)]. Using X-ray diffraction (XRD) and…
High-pressure structures and superconductivity of bismuth hydrides
Yanbin Ma, Defang Duan, Da Li +7
We have systematically searched for the ground state structures of bismuth hydrides based on evolutionary algorithm method and particle swarm optimization algorithm method. Given o…
The unexpected binding and superconductivity in SbH4 at high pressure
Yanbin Ma, Defang Duan, Da Li +7
The semimetal antimony (Sb) element doped into hydrogen has been performed theoretically to explored high-pressure crystal structure and superconductivity of antimony hydrides. The…
Decomposition of solid hydrogen bromide at high pressure
Defang Duan, Fubo Tian, Xiaoli Huang +6
The stability of different stoichiometric HBr (=1-7) compounds under pressure are extensively studied using density functional theory calculations. Five new energetically st…
Phase diagram and superconductivity of polonium hydrides under high pressure
Yunxian Liu, Defang Duan, Fubo Tian +8
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the dens…
Pressure-induced decomposition of solid hydrogen sulfide
Defang Duan, Xiaoli Huang, Fubo Tian +7
Solid hydrogen sulfide is well known as a typical molecular crystal but its stability under pressure is still under debate. Particularly, Eremets et al. found the high pressure sup…